5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide

C16H13ClN2O2S2 — CID 2100180

IUPAC5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H13ClN2O2S2/c17-15-5-6-16(22-15)23(20,21)19-14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-10,19H,11H2
InChIKeyOLFHWIKZBYFSJF-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2100180) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
PubChem CID2100180
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H13ClN2O2S2/c17-15-5-6-16(22-15)23(20,21)19-14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-10,19H,11H2
InChIKeyOLFHWIKZBYFSJF-UHFFFAOYSA-N
XLogP4.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide (CID 2100180) is 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is OLFHWIKZBYFSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c17-15-5-6-16(22-15)23(20,21)19-14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-10,19H,11H2.
What are the key properties of 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 364.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2100180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).